2-[4-(4-ethoxyphenyl)phenyl]carbonyl-5-phenylsulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-(4-ethoxyphenyl)phenyl]carbonyl-5-phenylsulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[4-(4-ethoxyphenyl)benzoyl]-5-phenylsulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[[4-(4-ethoxyphenyl)phenyl]-oxomethyl]-5-(phenylthio)-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-(4-ethoxyphenyl)benzoyl]-5-phenylsulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-(phenylthio)-5-(4-p-phenetylbenzoyl)cyclopentanecarboxylic acid Formula: C27H26O4S MolecularWeight: 446.55794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3CCC(C3C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3CCC(C3C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C27H26O4S/c1-2-31-21-14-12-19(13-15-21)18-8-10-20(11-9-18)26(28)23-16-17-24(25(23)27(29)30)32-22-6-4-3-5-7-22/h3-15,23-25H,2,16-17H2,1H3,(H,29,30)